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2-Ethyl-5-fluorobenzaldehyde

CAT: 0127-PC1010199Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010199Size:250 mg
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CAS Number
1289090-16-9
MDL Number
MFCD28550873
Purity
97%
Smiles
C (C) c1c (C=O) cc (F) cc1

Chemical Information

2-Ethyl-5-fluorobenzaldehyde
CAS Number1289090-16-9
PubChem CID84763318
IUPAC Name2-ethyl-5-fluorobenzaldehyde
Molecular FormulaC9H9FO
Molecular Weight152.16
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CCC1=C(C=C(C=C1)F)C=O
InChI
InChI=1S/C9H9FO/c1-2-7-3-4-9(10)5-8(7)6-11/h3-6H,2H2,1H3
InChIKey
JCGGHXUCLBZCOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-fluorobenzaldehyde
CAS: 1289090-16-9
CID: 84763318
Formula: C9H9FO
MW: 152.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.16
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.063743068
Monoisotopic Mass152.063743068
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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